2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)ethanamide

Systemtic Name: 2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)ethanamide Openeye Name: 2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(isopropylcarbamoyl)acetamide CAS Name: 2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]-N-[oxo-(propan-2-ylamino)methyl]acetamide IUPAC Name: 2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide Traditional Name: 2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]-N-(isopropylcarbamoyl)acetamide Formula: C20H27N5O2S MolecularWeight: 401.52568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)CSC1=NN(C(=N1)C2CCCCC2)C3=CC=CC=C3

Isomeric SMILES

CC(C)NC(=O)NC(=O)CSC1=NN(C(=N1)C2CCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C20H27N5O2S/c1-14(2)21-19(27)22-17(26)13-28-20-23-18(15-9-5-3-6-10-15)25(24-20)16-11-7-4-8-12-16/h4,7-8,11-12,14-15H,3,5-6,9-10,13H2,1-2H3,(H2,21,22,26,27)